⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6516912 | 0.85 | HTT (0.31) | — | |
| SCHEMBL11965117 | 0.84 | HTT (0.31) | — | |
| SCHEMBL5464601 | 0.76 | — | — | |
| SCHEMBL10952502 | 0.76 | — | — | |
| SCHEMBL5058749 | 0.76 | KCNN4 (0.30) | — | |
| SCHEMBL8553870 | 0.75 | CYP2D6 (0.33) | — | |
| SCHEMBL5054581 | 0.73 | APP (0.34) | — | |
| SCHEMBL9053743 | 0.72 | LDHA (0.30) | — | |
| SCHEMBL11144336 | 0.72 | — | — | |
| SCHEMBL7717007 | 0.71 | LMNA (0.41) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1991011986-A1 | MOUTH WASHES AND DENTIFRICES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1991-08-22 | — | — | WO | disclosed |